2742-4795 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

2742-4795 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
2742-4795 Screening compound: (2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2742-4795
(2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2742-4795

Molecular Formula

C26H23FIN3O3S (C26 H23 FIN3 O3 S)

Compound Name

(2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-[(4-fluorophenyl)imino]-N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-13-thiazinane-6-carboxamide

SMILES

COc1ccc(CCN(C(CC(C(Nc(cc2)ccc2I)=O)S2)=O)/C2=N/c(cc2)ccc2F)cc1

InChI

InChI=1S/C26H23FIN3O3S/c1-34-22-12-2-17(3-13-22)14-15-31-24(32)16-23(25(33)29-20-10-6-19(28)7-11-20)35-26(31)30-21-8-4-18(27)5-9-21/h2-13,23H,14-16H2,1H3,(H,29,33)/t23-/m0/s1

InChI Key

UMHXBUOKHIBJJM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02144395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-5.44

Polar Surface Area

55.661

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2742-4795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2742-4795?
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What is the minimum amount of 2742-4795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2742-4795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2742-4795
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2742-4795 available by request